SCHEMBL29952644

SCHEMBL29952644

CCCCCc1ccc(B(O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.56
LPL P06858 6/20 0.56
TRPV1 Q8NER1 1/20 0.54
MGLL Q99685 1/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6555943 1.00 LIPG (0.56) LIPGLPLTRPV1MGLLCA1
SCHEMBL2483099 0.87 LPL (0.52) LIPGLPLTRPV1MGLLCA1
SCHEMBL29955233 0.87 RARB (0.62) LIPGLPLTRPV1MGLLCA1
SCHEMBL1533765 0.87 RARB (0.62) LIPGLPLTRPV1MGLLCA1
SCHEMBL7781671 0.86 RARB (0.64) LIPGLPLTRPV1MGLLCA1
SCHEMBL29957265 0.86 RARB (0.64) LIPGLPLTRPV1MGLLCA1
SCHEMBL13564083 0.85 LIPG (0.57) LIPGLPLTRPV1MGLLCA1
SCHEMBL29956137 0.82 RARB (0.56) LIPGLPLTRPV1MGLLCA1
SCHEMBL12663093 0.81 HTR2A (0.47) LIPGLPLTRPV1CA1CA2
SCHEMBL8982044 0.81 CYP3A4 (0.40) LIPGLPLTRPV1MGLLCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed